Basic information
- CAS
117500-15-9- Standard SMILES
C#CCCC(C(=O)OCC)C(=O)OCC- InChIKey
BOMLONUVVPSLQQ-UHFFFAOYSA-N- Molecular formula
- C11H16O4
- Average molar mass
- 212.24 g/mol
- Monoisotopic mass
- 212.10485899
Names & identifiers
- Preferred name
- Diethyl 2-(but-3-yn-1-yl)malonate
- IUPAC
- diethyl 2-but-3-ynylpropanedioate
- English name
- Diethyl 2-(but-3-ynyl)Malonate
- Molecular formula
- C11H16O4
- Molecular weight
- 212.24
Names & synonyms
Diethyl 2-(but-3-yn-1-yl)malonate117500-15-9diethyl 2-but-3-ynylpropanedioateMFCD21930660Diethyl 2-(but-3-ynyl)MalonatePropanedioic acid, 2-(3-butyn-1-yl)-, 1,3-diethyl ester1,3-diethyl 2-(but-3-yn-1-yl)propanedioate3-Butynylmalonic acid diethyl esterDiethyl (but-3-yn-1-yl)propanedioateDTXSID40577680Diethyl2-(but-3-yn-1-yl)malonateAKOS016012285
Show more names
3-Butynylpropanedioic acid diethyl esters11833AS-80001SY536329F904013
Database identifiers
- CAS
117500-15-9- PubChem CID
- 15735948
- DTXSID
DTXSID40577680- Nikkaji
- J3.772.707E
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 243
Physicochemical properties
- Boiling point
- 128 · 128-130℃ (11 Torr)
- Density
- 1.054 · 1.054±0.06 g/cm3(Predicted)
- refractive index
- 1.4428 · 1.4428 (589.3 nm 15℃)
- storage temp.
- 2 · 2-8°C
- pka
- 12.34 · 12.34±0.59(Predicted)
Chemistry & industry
Suppliers17 total
常州金和生物科技有限公司18796930758 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]
上海梅凯科技有限公司021-68689288 15300790979 · [email protected]
Shanghai Scibiotron Pharmaceutical Co., Ltd+86-16621589600 · [email protected]
武汉泰凯塞科技有限公司027-86697669 13986148687 · [email protected]
南京诺利斯医药科技有限公司13901585132 · [email protected]
上海敏寒医药科技有限公司17612188245 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
诺尔凯立科技有限公司86-(0)21-31261262 373522135 · [email protected]
安阳鸿蒙新材料有限公司19588588067 · [email protected]
江阴瑞生化学有限公司13003356808 · [email protected]
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
上海琼燕医药科技有限公司086-021-15821262312 15821262312 · [email protected]
阿里化学（常州）有限公司19941333411 · [email protected]
SHANGHAI YOUNG-CHEM CHEMICAL CO., LTD.13817489192 · [email protected]
陕西缔都医药有限责任公司81148925 17391631969 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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